2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine

C15H18N4O2 — CID 115308115

IUPAC2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine
SMILESCC(CN)(Nc1ccc([N+](=O)[O-])c2ncccc12)C1CC1
InChIInChI=1S/C15H18N4O2/c1-15(9-16,10-4-5-10)18-12-6-7-13(19(20)21)14-11(12)3-2-8-17-14/h2-3,6-8,10,18H,4-5,9,16H2,1H3
InChIKeyMZMBMRSWCGPVDA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.68
Rot. Bonds5

About 2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine

2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine (PubChem CID 115308115) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine
PubChem CID115308115
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine
SMILESCC(CN)(Nc1ccc([N+](=O)[O-])c2ncccc12)C1CC1
InChIInChI=1S/C15H18N4O2/c1-15(9-16,10-4-5-10)18-12-6-7-13(19(20)21)14-11(12)3-2-8-17-14/h2-3,6-8,10,18H,4-5,9,16H2,1H3
InChIKeyMZMBMRSWCGPVDA-UHFFFAOYSA-N
XLogP2.68
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115310850
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239
3-methyl-3-[(8-nitroquinolin-5-yl)amino]butanoic acid
CID 64700007
2-ethyl-1-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115306174
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
N-(3-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616
2-cyclopropyl-2-N-(3-methyl-4-nitrophenyl)propane-1,2-diamine
CID 115308242

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine (CID 115308115) is 2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine is CC(CN)(Nc1ccc([N+](=O)[O-])c2ncccc12)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine?
The InChIKey is MZMBMRSWCGPVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(9-16,10-4-5-10)18-12-6-7-13(19(20)21)14-11(12)3-2-8-17-14/h2-3,6-8,10,18H,4-5,9,16H2,1H3.
What are the key properties of 2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine?
2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine has a molecular weight of 286.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine is sourced from PubChem (CID 115308115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).